Molecule card · MolClass #44606
24803826
24803826: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24803826Mitochondrial Fusion · compound_name
- MolClass ID
- 44606
- InChIKey
- DYOXCSCRKLLVMT-WEVVVXLNSA-N
- Canonical SMILES
- Cc2cc(C=C1NC(=O)NC1(=O))c(C)n2(C)
- Standard InChI
- InChI=1S/C11H13N3O2/c1-6-4-8(7(2)14(6)3)5-9-10(15)13-11(16)12-9/h4-5H,1-3H3,(H2,12,13,15,16)/b9-5+
- Stored Murcko scaffold
- c1cc(c[nH]1)C=C2[CH]N[CH]N2
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 219.24 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.998
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 24803826